6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione

C11H15N5O2S — CID 63091923

IUPAC6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione
SMILESCc1csc(C(C)Nc2c(N)n(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H15N5O2S/c1-5-4-19-10(13-5)6(2)14-7-8(12)16(3)11(18)15-9(7)17/h4,6,14H,12H2,1-3H3,(H,15,17,18)
InChIKeyYNSIOXRUYLRSJE-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.59
Rot. Bonds3

About 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 63091923) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID63091923
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione
SMILESCc1csc(C(C)Nc2c(N)n(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H15N5O2S/c1-5-4-19-10(13-5)6(2)14-7-8(12)16(3)11(18)15-9(7)17/h4,6,14H,12H2,1-3H3,(H,15,17,18)
InChIKeyYNSIOXRUYLRSJE-UHFFFAOYSA-N
XLogP0.59
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione (CID 63091923) is 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione is Cc1csc(C(C)Nc2c(N)n(C)c(=O)[nH]c2=O)n1.
What is the InChIKey of 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is YNSIOXRUYLRSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-5-4-19-10(13-5)6(2)14-7-8(12)16(3)11(18)15-9(7)17/h4,6,14H,12H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 63091923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).